Geometry & MOs

Info

ID:	223967
PubChem CID:	85336372
Reduced:	F2N3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	400.224974
ΔH_f, kcal/mol:	-246.47
Dipole, Da:	2.44
IP(EA), eV:	-9.33(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C(C)NC(=O)C(C)NC(=O)CC1=CC(=CC(=C1)F)F

DOS

IR

Vibrations